Activation of atomic transport via vibrational coupling-induced force fluctuations
Activation of atomic transport via vibrational coupling-induced force fluctuations
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DOI：
10.1063/5.0160780
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发表时间：
2023-08-28
影响因子：
4
通讯作者：
Aluru, N. R.
中科院分区：
文献类型：
--
作者：
Noh, Yechan;Aluru, N. R.
振动耦合，虽然在许多领域得到了很好的探索，但很少在质量输运的背景下进行研究。在这封信中，我们使用简单的分子动力学模拟研究振动耦合对原子输运的影响。我们的研究表明，当原子狭缝的固有频率接近于被输运原子的固有频率时，原子输运可以被激活。我们发现存在的波动力引起的振动耦合时，观察到的耦合强度较高的振幅。我们表明，运输激活机制是由于强振动耦合过程中产生的高力波动，使原子暂时超越运输势垒的狭缝。我们的研究结果将作为基础，继续检查振动耦合领域的质量传输。
Vibrational coupling, although well-explored in many fields, has seldom been investigated in the context of mass transport. In this Letter, we examine the impact of vibrational coupling on atomic transport using simple molecular dynamics simulations. Our study shows that the atomic transport can be activated when the natural frequency of the atomic slit is close to the natural frequency of the atom being transported. We uncover the presence of fluctuating forces induced by vibrational coupling with higher amplitudes observed when the coupling is strong. We show that the transport activation mechanism is due to the high force fluctuations that arise during strong vibrational coupling allowing the atom to temporarily surpass the transport barrier of the slit. Our findings will serve as a foundation for the continued examination of vibrational coupling in the realm of mass transport.